PDB ATOM format for sprintf

Post date: Aug 8, 2013 10:47:30 AM

Taken literally from http://deposit.rcsb.org/adit/docs/pdb_atom_format.html#ATOM

    fmt="%-6s%5d %-4s%1s%-3s %1s%4d%1s   %8.3f%8.3f%8.3f%6.2f%6.2f      %-4s%2s%-2s";

Test case

BEGIN {
    print "         1         2         3         4         5         6         7         8";
    print "12345678901234567890123456789012345678901234567890123456789012345678901234567890";
    print "ATOM    145  N   VAL A  25      32.433  16.336  57.540  1.00 11.92      A1   N";
 #       ATOMser nameAL resn C  ridI     x    y    z    o    b           sid el ch
    fmt="%-6s%5d %-4s%1s%-3s %1s%4d%1s   %8.3f%8.3f%8.3f%6.2f%6.2f      %-4s%2s%-2s";
    printf(fmt,"ATOM",145," N", "", "VAL","A", 25, "",
        32.433 ,    16.336,  57.540,  1.00, 11.92 ,
        "A1"  , "N", "");
    print "";
}